Publications by authors named "Maria Victoria Roux"

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Thermochemistry of uracils. Experimental and computational enthalpies of formation of 5,6-dimethyl-, 1,3,5-trimethyl-, and 1,3,5,6-tetramethyluracils.
Rafael Notario, Vladimir N Emel'yanenko, María Victoria Roux, Francisco Ros, Sergey P Verevkin

J Phys Chem A· January 2013

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Rediscovering the Wheel. Thermochemical Analysis of Energetics of the Aromatic Diazines.
Sergey P Verevkin, Vladimir N Emel'yanenko, Rafael Notario, María Victoria Roux, James S Chickos

J Phys Chem Lett· December 2012

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Substituent effects on the thermochemistry of thiophenes. a theoretical (G3(MP2)//B3LYP and G3) study.
Rafael Notario, Manuel Temprado, María Victoria Roux, Joel F Liebman

J Phys Chem A· May 2012

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Experimental and computational thermochemical study of 2-thiobarbituric acid: structure-energy relationship.
Maria Victoria Roux, Rafael Notario, Dzmitry H Zaitsau, Vladimir N Emel'yanenko, Sergey P Verevkin

J Phys Chem A· May 2012

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Experimental and computational thermochemical study of N-benzylalanines.
Rafael Notario, Maria Victoria Roux, Concepción Foces-Foces, Manuel A V Ribeiro da Silva, Maria das Dores M C Ribeiro da Silva

J Phys Chem B· August 2011

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Experimental and computational thermochemical study of barbituric acids: structure-energy relationship in 1,3-dimethylbarbituric acid.
María Victoria Roux, Rafael Notario, Concepción Foces-Foces, Manuel Temprado, Francisco Ros

J Phys Chem A· April 2011

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Energetics of the lighter chalcogen analogues of carboxylic acid esters.
Carol A Deakyne, Alicia K Ludden, Maria Victoria Roux, Rafael Notario, Alexei V Demchenko

J Phys Chem B· December 2010

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Experimental and computational thermochemical study of α-alanine (DL) and β-alanine.
Manuel A V Ribeiro da Silva, Maria das Dores M C Ribeiro da Silva, Ana Filipa L O M Santos, Maria Victoria Roux, Concepción Foces-Foces

J Phys Chem B· December 2010

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Computational thermochemistry of six ureas, imidazolidin-2-one, N,N'-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5'-diethylbarbituric acid), and 3,4,4'-trichlorocarbanilide, with an extension to related compounds.
Juan Z Dávalos, Maria das Dores M C Ribeiro da Silva, Manuel A V Ribeiro da Silva, Vera L S Freitas, Pilar Jiménez, Maria Victoria Roux

J Phys Chem A· September 2010

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Experimental and computational thermochemical study of sulfur-containing amino acids: L-cysteine, L-cystine, and L-cysteine-derived radicals. S-S, S-H, and C-S bond dissociation enthalpies.
Maria Victoria Roux, Concepción Foces-Foces, Rafael Notario, Manuel A V Ribeiro da Silva, Maria das Dores M C Ribeiro da Silva

J Phys Chem B· August 2010

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Experimental and theoretical study of the structures and enthalpies of formation of 3H-1,3-benzoxazole-2-thione, 3H-1,3-benzothiazole-2-thione, and their tautomers.
Maria Victoria Roux, Manuel Temprado, Pilar Jiménez, Concepción Foces-Foces, Rafael Notario

J Phys Chem A· June 2010

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Experimental and computational thermochemical study and solid-phase structure of 5,5-dimethylbarbituric acid.
María Victoria Roux, Rafael Notario, Concepción Foces-Foces, Manuel Temprado, Francisco Ros

J Phys Chem A· March 2010

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Experimental and theoretical study of the structures and enthalpies of formation of the synthetic reagents 1,3-thiazolidine-2-thione and 1,3-oxazolidine-2-thione.
María Victoria Roux, Manuel Temprado, Pilar Jiménez, Concepción Foces-Foces, Rafael Notario

J Phys Chem A· October 2009

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Thermochemistry of bithiophenes and thienyl radicals. A calorimetric and computational study.
Manuel A V Ribeiro da Silva, Ana Filipa L O M Santos, José R B Gomes, María Victoria Roux, Manuel Temprado

J Phys Chem A· October 2009

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Thermochemistry of 2- and 3-thiopheneacetic acids: calorimetric and computational study.
Manuel Temprado, María Victoria Roux, Pilar Jiménez, Concepción Foces-Foces, Rafael Notario

J Phys Chem A· October 2008

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Structure-energy relationship in barbituric acid: a calorimetric, computational, and crystallographic study.
María Victoria Roux, Manuel Temprado, Rafael Notario, Concepción Foces-Foces, Vladimir N Emel'yanenko

J Phys Chem A· August 2008

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Thermochemistry of 2- and 3-acetylthiophenes: calorimetric and computational study.
María Victoria Roux, Manuel Temprado, Pilar Jiménez, Rafael Notario, James S Chickos

J Phys Chem A· November 2007

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Experimental and computational thermochemical study of 2- and 3-thiopheneacetic acid methyl esters.
María Victoria Roux, Manuel Temprado, Rafael Notario, James S Chickos, Ana Filipa L O M Santos

J Phys Chem A· June 2007

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Calorimetric and computational study of 1,3- and 1,4-oxathiane sulfones.
María Victoria Roux, Manuel Temprado, Pilar Jiménez, Rafael Notario, Ramón Guzman-Mejía

J Org Chem· February 2007

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Thermochemistry of 2,5-thiophenedicarboxylic acid.
María Victoria Roux, Manuel Temprado, Pilar Jiménez, Concepción Foces-Foces, Rafael Notario

J Phys Chem A· November 2006

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Distinct dynamic behaviors of water molecules in hydrated pores.
Martín Febles, Natalia Pérez-Hernandez, Cirilo Pérez, Matías L Rodríguez, Concepción Foces-Foces, María Victoria Roux

J Am Chem Soc· August 2006

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Computational study of 1,3-dithiane 1,1-dioxide (1,3-dithiane sulfone). Description of the inversion process and manifestation of stereoelectronic effects on 1JC-H coupling constants.
Rafael Notario, María Victoria Roux, Gabriel Cuevas, Julio Cardenas, Verónica Leyva

J Phys Chem A· June 2006

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Calorimetric and computational study of 1,4-dithiacyclohexane 1,1-dioxide (1,4-dithiane sulfone).
María Victoria Roux, Manuel Temprado, Pilar Jiménez, Rafael Notario, Ramón Guzman-Mejía

J Org Chem· March 2006

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Calorimetric and computational study of 3-buten-1-ol and 3-butyn-1-ol. Estimation of the enthalpies of formation of 1-alkenols and 1-alkynols.
Ederley Vélez, Jairo Quijano, Jair Gaviria, María Victoria Roux, Pilar Jiménez

J Phys Chem A· September 2005

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The thermochemistry of 2,4-pentanedione revisited: observance of a nonzero enthalpy of mixing between tautomers and its effects on enthalpies of formation.
Manuel Temprado, Maria Victoria Roux, Patamaporn Umnahanant, Hui Zhao, James S Chickos

J Phys Chem B· June 2005

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